(2R,3R)-N-(3-acetamidophenyl)-3-methyloxolane-2-carboxamide

C14H18N2O3 — CID 124591887

IUPAC(2R,3R)-N-(3-acetamidophenyl)-3-methyloxolane-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)[C@@H]2OCC[C@H]2C)c1
InChIInChI=1S/C14H18N2O3/c1-9-6-7-19-13(9)14(18)16-12-5-3-4-11(8-12)15-10(2)17/h3-5,8-9,13H,6-7H2,1-2H3,(H,15,17)(H,16,18)/t9-,13-/m1/s1
InChIKeyNVNUYAOOPPVQJE-NOZJJQNGSA-N
MW262.31 g/mol
LogP2.01
Rot. Bonds3

About (2R,3R)-N-(3-acetamidophenyl)-3-methyloxolane-2-carboxamide

(2R,3R)-N-(3-acetamidophenyl)-3-methyloxolane-2-carboxamide (PubChem CID 124591887) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (2R,3R)-N-(3-acetamidophenyl)-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(3-acetamidophenyl)-3-methyloxolane-2-carboxamide
PubChem CID124591887
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(2R,3R)-N-(3-acetamidophenyl)-3-methyloxolane-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)[C@@H]2OCC[C@H]2C)c1
InChIInChI=1S/C14H18N2O3/c1-9-6-7-19-13(9)14(18)16-12-5-3-4-11(8-12)15-10(2)17/h3-5,8-9,13H,6-7H2,1-2H3,(H,15,17)(H,16,18)/t9-,13-/m1/s1
InChIKeyNVNUYAOOPPVQJE-NOZJJQNGSA-N
XLogP2.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(3-sulfamoylphenyl)oxolane-2-carboxamide
CID 81424664
N-(2-acetyl-3-methylphenyl)-3-methyloxolane-2-carboxamide
CID 91650588
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
N-(3-acetamidophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777091
(2S,3R)-N-(5-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide
CID 126793790
trans-(1S,2S)-2-[(3-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 792081
N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-3-methyloxolane-2-carboxamide
CID 119042556
2-hydroxy-3-[(3-methyloxolane-2-carbonyl)amino]benzoic acid
CID 113458398
(2R,3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methyloxolane-2-carboxamide
CID 96997193
N-(2-hydroxy-4-methylphenyl)-3-methyloxolane-2-carboxamide
CID 81426078
N-(2-acetyl-5-fluorophenyl)-3-methyloxolane-2-carboxamide
CID 75503564
(2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120616198

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(3-acetamidophenyl)-3-methyloxolane-2-carboxamide?
The IUPAC name of (2R,3R)-N-(3-acetamidophenyl)-3-methyloxolane-2-carboxamide (CID 124591887) is (2R,3R)-N-(3-acetamidophenyl)-3-methyloxolane-2-carboxamide.
What is the SMILES notation for (2R,3R)-N-(3-acetamidophenyl)-3-methyloxolane-2-carboxamide?
The canonical SMILES for (2R,3R)-N-(3-acetamidophenyl)-3-methyloxolane-2-carboxamide is CC(=O)Nc1cccc(NC(=O)[C@@H]2OCC[C@H]2C)c1.
What is the InChIKey of (2R,3R)-N-(3-acetamidophenyl)-3-methyloxolane-2-carboxamide?
The InChIKey is NVNUYAOOPPVQJE-NOZJJQNGSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-6-7-19-13(9)14(18)16-12-5-3-4-11(8-12)15-10(2)17/h3-5,8-9,13H,6-7H2,1-2H3,(H,15,17)(H,16,18)/t9-,13-/m1/s1.
What are the key properties of (2R,3R)-N-(3-acetamidophenyl)-3-methyloxolane-2-carboxamide?
(2R,3R)-N-(3-acetamidophenyl)-3-methyloxolane-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(3-acetamidophenyl)-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 124591887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).